SCHEMBL29643935

SCHEMBL29643935

CC(O)c1nn(COCC[Si](C)(C)C)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.42
ACHE P22303 6/20 0.42
CNR1 P21554 5/20 0.42
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 4/20 0.37
ELANE P08246 3/20 0.36
F2 P00734 2/20 0.36
PLAU P00749 2/20 0.36
CTRB1 P17538 2/20 0.36
KLKB1 P03952 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
F2RL3 Q96RI0 1/20 0.34
NPC1 O15118 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29643957 0.89 CNR2 (0.41) CNR2ACHECNR1MEN1KMT2A
SCHEMBL25444558 0.83 CNR2 (0.42) CNR2ACHECNR1MEN1KMT2A
SCHEMBL29644071 0.83 CNR2 (0.45) CNR2ACHECNR1MEN1KMT2A
SCHEMBL30183407 0.83 CNR2 (0.45) CNR2ACHECNR1MEN1KMT2A
SCHEMBL3517141 0.83 CNR2 (0.45) CNR2ACHECNR1MEN1KMT2A
SCHEMBL2470918 0.83 CNR2 (0.45) CNR2ACHECNR1MEN1KMT2A
SCHEMBL4007969 0.82 ELANE (0.45) CNR2ACHECNR1MAPTELANE
SCHEMBL23782916 0.82 ELANE (0.43) CNR2ACHECNR1MEN1KMT2A
SCHEMBL30183382 0.82 CNR2 (0.43) CNR2ACHECNR1MEN1KMT2A
SCHEMBL26972832 0.82 CNR2 (0.43) CNR2ACHECNR1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3997081-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS Escape Bio, Inc. (US) 2022-05-18 EP disclosed